|
Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
|
Buy Now
Many-Electron Densities and Reduced Density Matrices (Hardcover, 2000 ed.)
Loot Price: R2,900
Discovery Miles 29 000
|
|
|
Many-Electron Densities and Reduced Density Matrices (Hardcover, 2000 ed.)
Series: Mathematical and Computational Chemistry
Expected to ship within 10 - 17 working days
|
Science advances by leaps and bounds rather than linearly in time.
I t is not uncommon for a new concept or approach to generate a lot
of initial interest, only to enter a quiet period of years or
decades and then suddenly reemerge as the focus of new exciting
investigations. This is certainly the case of the reduced density
matrices (a k a N-matrices or RDMs), whose promise of a great
simplification of quantum-chemical approaches faded away when the
prospects of formulating the auxil iary yet essential
N-representability conditions turned quite bleak. How ever, even
during the period that followed this initial disappointment, the
2-matrices and their one-particle counterparts have been ubiquitous
in the formalisms of modern electronic structure theory, entering
the correlated-level expressions for the first-order response
properties, giv ing rise to natural spinorbitals employed in the
configuration interaction method and in rigorous analysis of
electronic wavefunctions, and al lowing direct calculations of
ionization potentials through the extended Koopmans'theorem. The
recent research of Nakatsuji, Valdemoro, and Mazziotti her alds a
renaissance of the concept of RDlvls that promotes them from the
role of interpretive tools and auxiliary quantities to that of
central variables of new electron correlation formalisms. Thanks to
the economy of information offered by RDMs, these formalisms
surpass the conven tional approaches in conciseness and elegance of
formulation. As such, they hold the promise of opening an entirely
new chapter of quantum chemistry."
General
Is the information for this product incomplete, wrong or inappropriate?
Let us know about it.
Does this product have an incorrect or missing image?
Send us a new image.
Is this product missing categories?
Add more categories.
Review This Product
No reviews yet - be the first to create one!
|
You might also like..
|
Email address subscribed successfully.
A activation email has been sent to you.
Please click the link in that email to activate your subscription.
Welcome to Loot.co.za!
Sign in / Register |Wishlists & Gift Vouchers |Help | Advanced search
